Cas no 10184-51-7 (9H-Purin-6-amine,9-methyl-, 1-oxide)
10184-51-7 structure
Product Name:9H-Purin-6-amine,9-methyl-, 1-oxide
CAS No:10184-51-7
MF:C6H5N5O
MW:163.136799573898
CID:181396
PubChem ID:57501111
Update Time:2025-04-19
9H-Purin-6-amine,9-methyl-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purin-6-amine,9-methyl-, 1-oxide
- 1-hydroxy-9-methylpurin-6-imine
- 9-methyl-1-oxy-9H-purin-6-ylamine
- 9-Methyladenine 1-oxide
- 9-Methyladenine-1-N-oxide
- AC1L4D8X
- Adenine, 9-methyl-N(1)-oxide-
- Adenine-N1-oxide, 9-methyl
- CCRIS 6906
- CTK4A0311
- NSC527422
- 6-Amino-9H-purine-9-carbaldehyde
- 10184-51-7
- 9-formyladenine
-
- Inchi： 1S/C6H5N5O/c7-5-4-6(9-1-8-5)11(3-12)2-10-4/h1-3H,(H2,7,8,9)
- InChI Key： GSDGBHHIAFRWNU-UHFFFAOYSA-N
- SMILES： O=CN1C=NC2=C(N)N=CN=C12
Computed Properties
- Exact Mass: 165.06521
- Monoisotopic Mass: 165.06506
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 240
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 77.5
- XLogP3: -0.1
Experimental Properties
- Density: 1.71
- Boiling Point: 468.6°Cat760mmHg
- Flash Point: 237.2°C
- Refractive Index: 1.814
- PSA: 77.5
- LogP: 0.56020
9H-Purin-6-amine,9-methyl-, 1-oxide Related Literature
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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